2-(3-azanyl-5-cyclopropyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-(3-azanyl-5-cyclopropyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-(3-amino-5-cyclopropyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(3-amino-5-cyclopropyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(3-amino-5-cyclopropyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(3-amino-5-cyclopropyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Formula: C14H14N5O+ MolecularWeight: 268.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CC1C2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C14H13N5O/c15-12-10(11(18-19-12)7-5-6-7)13-16-9-4-2-1-3-8(9)14(20)17-13/h1-4,7H,5-6H2,(H3,15,18,19)(H,16,17,20)/p+1